SCHEMBL7978071

SCHEMBL7978071

CC(C)(N)C1CCN(c2ccc(-c3nc(C(=O)O)c(-c4ccc(Cl)cc4)[nH]3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 6/20 0.39
DGAT1 O75907 3/20 0.39
NOTUM Q6P988 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 2/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7989957 0.87 USP2 (0.48) CHEK2DGAT1NOTUMLMNAMAPT
SCHEMBL7991701 0.84 MALT1 (0.41) CHEK2DGAT1NOTUMLMNAMAPT
SCHEMBL7991843 0.83 AURKA (0.45) CHEK2DGAT1LMNAMAPTKMT2A
SCHEMBL7988137 0.82 PRKAB2 (0.52) CHEK2DGAT1LMNAMAPTKMT2A
SCHEMBL7978156 0.82 AKR1C3 (0.47) CHEK2DGAT1LMNAMAPTKMT2A
SCHEMBL7989662 0.82 LMNA (0.45) CHEK2DGAT1LMNAMAPTKMT2A
SCHEMBL7977506 0.82 PRKAB2 (0.43) DGAT1KMT2ASMN1; SMN2PARP1PRKAB2
SCHEMBL7978074 0.82 DGAT1 (0.40) CHEK2DGAT1NOTUMLMNAMAPT
SCHEMBL7991773 0.81 PARP1 (0.51) CHEK2LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL7991757 0.81 DGAT1 (0.42) CHEK2DGAT1LMNAMAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed